2-[3-(4H-imidazol-3-ium-3-yl)propylamino]-4-oxidanylidene-6-pyridin-3-yl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[3-(4H-imidazol-3-ium-3-yl)propylamino]-4-oxidanylidene-6-pyridin-3-yl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[3-(4H-imidazol-3-ium-3-yl)propylamino]-4-oxo-6-(3-pyridyl)-1H-pyrimidine-5-carbonitrile CAS Name: 2-[3-(4H-imidazol-3-ium-3-yl)propylamino]-4-oxo-6-(3-pyridinyl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[3-(4H-imidazol-3-ium-3-yl)propylamino]-4-oxo-6-pyridin-3-yl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[3-(4H-imidazol-3-ium-3-yl)propylamino]-4-keto-6-(3-pyridyl)-1H-pyrimidine-5-carbonitrile Formula: C16H16N7O+ MolecularWeight: 322.34454

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Descriptors Computed from Structure

Canonical SMILES:

C1C=NC=[N+]1CCCNC2=NC(=O)C(=C(N2)C3=CN=CC=C3)C#N

Isomeric SMILES

C1C=NC=[N+]1CCCNC2=NC(=O)C(=C(N2)C3=CN=CC=C3)C#N

InChI

InChI=1S/C16H15N7O/c17-9-13-14(12-3-1-4-18-10-12)21-16(22-15(13)24)20-5-2-7-23-8-6-19-11-23/h1,3-4,6,10-11H,2,5,7-8H2,(H-,20,21,22,24)/p+1